4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide

C20H19FN4O2 — CID 146477341

IUPAC4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide
SMILESCc1cc(OC/C(=C\F)CN)ccc1C(=O)Nc1ccc2cncnc2c1
InChIInChI=1S/C20H19FN4O2/c1-13-6-17(27-11-14(8-21)9-22)4-5-18(13)20(26)25-16-3-2-15-10-23-12-24-19(15)7-16/h2-8,10,12H,9,11,22H2,1H3,(H,25,26)/b14-8-
InChIKeyBGQDKMWZLUQFFR-ZSOIEALJSA-N
MW366.40 g/mol
LogP3.38
Rot. Bonds6

About 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide

4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide (PubChem CID 146477341) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide.

Molecular Properties

Compound Name4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide
PubChem CID146477341
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide
SMILESCc1cc(OC/C(=C\F)CN)ccc1C(=O)Nc1ccc2cncnc2c1
InChIInChI=1S/C20H19FN4O2/c1-13-6-17(27-11-14(8-21)9-22)4-5-18(13)20(26)25-16-3-2-15-10-23-12-24-19(15)7-16/h2-8,10,12H,9,11,22H2,1H3,(H,25,26)/b14-8-
InChIKeyBGQDKMWZLUQFFR-ZSOIEALJSA-N
XLogP3.38
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide
CID 146492847
4-phenylmethoxy-N-quinazolin-7-ylbenzamide
CID 162521669
(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine
CID 175408443
6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine
CID 146453911
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 146427574
[5-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-(naphthalen-1-ylcarbamoyl)phenyl] 2,2,2-trifluoroacetate
CID 153463845
N-[3-(hydroxymethyl)quinolin-7-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 11854668
2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589959
(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine
CID 146492865
4-[2-(aminomethyl)prop-2-enoxy]-N-[2-chloro-4-(methoxymethyl)phenyl]-2-methylbenzamide
CID 146477342
ethyl 2-isoquinolin-6-yloxyacetate
CID 138975938
6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-propyl-1,3-benzothiazol-2-amine
CID 146453965

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide?
The IUPAC name of 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide (CID 146477341) is 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide.
What is the SMILES notation for 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide?
The canonical SMILES for 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide is Cc1cc(OC/C(=C\F)CN)ccc1C(=O)Nc1ccc2cncnc2c1.
What is the InChIKey of 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide?
The InChIKey is BGQDKMWZLUQFFR-ZSOIEALJSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-6-17(27-11-14(8-21)9-22)4-5-18(13)20(26)25-16-3-2-15-10-23-12-24-19(15)7-16/h2-8,10,12H,9,11,22H2,1H3,(H,25,26)/b14-8-.
What are the key properties of 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide?
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide has a molecular weight of 366.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide is sourced from PubChem (CID 146477341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).